Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL25211512

N#Cc1cccc2c(-c3cnc(OC4CCNC4)cn3)c[nH]c12.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 4/20 0.44
▸ CCNK O75909 4/20 0.44
▸ CCNE1 P24864 4/20 0.44
▸ CDK2 P24941 4/20 0.44
▸ CDK9 P50750 4/20 0.44
▸ CDK12 Q9NYV4 4/20 0.44
▸ GSK3B P49841 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ NFATC1 O95644 1/20 0.39
▸ TDO2 P48775 1/20 0.35
▸ TYK2 P29597 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ CDK7 P50613 2/20 0.33
▸ CCNH P51946 2/20 0.33
▸ ALOX5AP P20292 2/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ FGFR3 P22607 2/20 0.33
▸ KDR P35968 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25028896 0.91 GSK3B (0.45) CCNT1CCNKCCNE1CDK2CDK9
Trifluoroacetic Acid SCHEMBL29361361 0.82 CCNT1 (0.48) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25028898 0.82 CCNK (0.40) CCNT1CCNKCCNE1CDK2CDK9
Trifluoroacetic Acid SCHEMBL29361498 0.81 CCNT1 (0.42) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL29363980 0.79 CCNT1 (0.49) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25029216 0.79 CCNT1 (0.49) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL29364398 0.79 SLC6A4 (0.49) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25029229 0.79 SLC6A4 (0.49) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25029296 0.77 GSK3B (0.41) GSK3BDYRK1ANFATC1TBK1CDK7
SCHEMBL29363610 0.77 GSK3B (0.41) GSK3BDYRK1ANFATC1TBK1CDK7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4182320-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Nido Biosciences, Inc. (US) 2023-05-24 — — EP disclosed
WO-2022020342-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. (US) 2022-01-27 — — WO disclosed
Send feedback